# generated using pymatgen data_Hf9TaBeRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57475954 _cell_length_b 8.57475865 _cell_length_c 8.51062999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999581 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9TaBeRe3 _chemical_formula_sum 'Hf18 Ta2 Be2 Re6' _cell_volume 541.92129244 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.19996585 0.80003415 0.44713360 1.0 Hf Hf1 1 0.19996585 0.39993269 0.44713360 1.0 Hf Hf2 1 0.60006731 0.80003415 0.44713360 1.0 Hf Hf3 1 0.80003415 0.19996585 0.55286640 1.0 Hf Hf4 1 0.80003415 0.60006731 0.55286640 1.0 Hf Hf5 1 0.39993269 0.19996585 0.55286640 1.0 Hf Hf6 1 0.80003415 0.19996585 0.94713360 1.0 Hf Hf7 1 0.80003415 0.60006731 0.94713360 1.0 Hf Hf8 1 0.39993269 0.19996585 0.94713360 1.0 Hf Hf9 1 0.19996585 0.80003415 0.05286640 1.0 Hf Hf10 1 0.19996585 0.39993269 0.05286640 1.0 Hf Hf11 1 0.60006731 0.80003415 0.05286640 1.0 Hf Hf12 1 0.54005753 0.45994247 0.25000000 1.0 Hf Hf13 1 0.54005753 0.08011406 0.25000000 1.0 Hf Hf14 1 0.91988594 0.45994247 0.25000000 1.0 Hf Hf15 1 0.45994247 0.54005753 0.75000000 1.0 Hf Hf16 1 0.45994247 0.91988594 0.75000000 1.0 Hf Hf17 1 0.08011406 0.54005753 0.75000000 1.0 Ta Ta18 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta19 1 0.00000000 0.00000000 0.00000000 1.0 Be Be20 1 0.33333300 0.66666700 0.25000000 1.0 Be Be21 1 0.66666700 0.33333300 0.75000000 1.0 Re Re22 1 0.88652602 0.11347398 0.25000000 1.0 Re Re23 1 0.88652602 0.77305503 0.25000000 1.0 Re Re24 1 0.22694497 0.11347398 0.25000000 1.0 Re Re25 1 0.11347398 0.88652602 0.75000000 1.0 Re Re26 1 0.11347398 0.22694497 0.75000000 1.0 Re Re27 1 0.77305503 0.88652602 0.75000000 1.0